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+==== Secondary Structure Definition by the program DSSP, CMBI version by M.L. Hekkelman/2010-10-21 ==== DATE=2012-03-20 .
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+REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 .
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+HEADER HYDROLASE 17-MAY-76 1EST .
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+COMPND 2 MOLECULE: PORCINE PANCREATIC ELASTASE; .
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+SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; .
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+AUTHOR L.SAWYER,D.M.SHOTTON,H.C.WATSON .
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+ 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
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+ 10891.8 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
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+ 162 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES .
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+ 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
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+ 82 34.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
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+ 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES .
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+ 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES .
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+ 6 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES .
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15
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+ 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES .
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16
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+ 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES .
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17
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+ 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES .
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18
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+ 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES .
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19
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+ 26 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
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20
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+ 30 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
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21
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+ 10 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
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+ 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES .
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+ 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** .
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+ 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX .
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+ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER .
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+ 6 2 2 5 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER .
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+ 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET .
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+ # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA
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+ 1 16 A V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 108.5 -11.1 33.8 35.9
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+ 2 17 A V B 3 +A 182 0A 7 180,-2.5 180,-1.9 1,-0.2 134,-0.1 -0.776 360.0 8.1 -84.5 125.5 -14.7 34.4 34.8
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+ 3 18 A G T 3 S+ 0 0 43 132,-0.7 -1,-0.2 -2,-0.4 2,-0.1 0.798 100.7 136.9 80.5 24.5 -16.0 37.9 35.4
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32
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+ 4 19 A G < - 0 0 25 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.371 45.8-132.5-100.0 170.1 -12.7 39.3 36.5
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33
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+ 5 20 A T E -B 147 0B 84 142,-2.6 142,-2.6 -2,-0.1 2,-0.1 -0.899 35.7 -86.0-114.8 165.7 -10.6 42.4 35.9
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+ 6 21 A E E -B 146 0B 116 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.432 44.9-137.8 -79.6 125.3 -6.9 42.9 35.0
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35
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+ 7 22 A A - 0 0 5 138,-2.6 2,-0.4 -2,-0.1 -1,-0.1 -0.325 18.7-104.2 -76.0 161.6 -4.6 43.0 38.0
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36
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+ 8 23 A Q >> - 0 0 133 -2,-0.1 3,-1.8 1,-0.1 4,-0.7 -0.782 31.7-116.3 -93.7 129.2 -1.7 45.3 38.6
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37
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+ 9 24 A R T 34 S+ 0 0 109 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.849 114.3 36.3 -25.9 -47.2 1.8 43.9 38.0
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38
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+ 10 25 A N T 34 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.1 99,-0.0 0.291 95.3 90.4 -95.2 -8.1 2.8 44.3 41.6
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39
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+ 11 26 A S T <4 S+ 0 0 37 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.961 98.4 20.4 -54.7 -58.2 -0.5 43.5 43.2
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40
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+ 12 27 A W >< + 0 0 25 -4,-0.7 3,-1.5 -3,-0.2 -1,-0.2 -0.621 69.2 166.5-120.7 81.0 -0.2 39.7 43.6
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41
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+ 13 28 A P T 3 + 0 0 33 0, 0.0 97,-2.2 0, 0.0 45,-0.2 0.352 68.6 62.2 -95.3 15.7 3.5 38.8 43.6
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42
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+ 14 29 A S T 3 S+ 0 0 8 95,-0.2 20,-2.3 97,-0.1 2,-0.3 0.326 76.6 113.3-108.5 -13.4 3.3 35.3 44.9
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43
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+ 15 30 A Q E < -I 33 0C 7 -3,-1.5 43,-0.5 18,-0.2 44,-0.4 -0.580 48.5-171.3 -63.8 119.9 1.2 34.1 42.0
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44
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+ 16 31 A I E -IJ 32 57C 0 16,-1.8 16,-0.9 -2,-0.3 2,-0.6 -0.912 22.1-128.7-115.2 158.2 3.1 31.7 39.7
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45
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+ 17 32 A S E -IJ 31 56C 0 39,-2.0 39,-1.6 -2,-0.3 2,-0.7 -0.944 15.4-154.0-107.5 111.1 2.4 30.1 36.3
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46
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+ 18 33 A L E -IJ 30 55C 0 12,-3.3 11,-2.8 -2,-0.6 12,-1.8 -0.891 24.0-178.6 -87.1 102.6 2.7 26.3 36.2
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47
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+ 19 34 A Q E -IJ 28 54C 9 35,-2.7 35,-2.4 -2,-0.7 2,-0.3 -0.916 17.2-152.0-107.9 142.4 3.6 25.5 32.6
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48
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+ 20 35 A Y E -IJ 27 53C 71 7,-2.4 7,-2.9 -2,-0.4 2,-1.0 -0.873 31.0-106.6-113.2 142.2 4.2 22.1 30.9
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49
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+ 21 36 A R E -I 26 0C 135 31,-1.9 2,-1.3 -2,-0.3 31,-0.3 -0.731 31.4-167.7 -73.6 92.0 6.5 21.6 27.9
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50
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+ 22 36AA S E > -I 25 0C 61 3,-1.9 3,-1.8 -2,-1.0 2,-0.8 -0.855 54.9 -82.7 -81.6 69.3 4.0 21.1 25.1
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51
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+ 23 36BA G T 3 S+ 0 0 62 -2,-1.3 -1,-0.0 1,-0.3 -2,-0.0 -0.301 119.0 14.6 77.3 -82.9 6.5 19.8 22.6
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52
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+ 24 36CA S T 3 S+ 0 0 125 -2,-0.8 -1,-0.3 -3,-0.1 2,-0.2 0.665 132.2 17.5 -91.7 -40.1 8.1 22.9 21.1
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53
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+ 25 37 A S E < S-I 22 0C 71 -3,-1.8 -3,-1.9 -5,-0.1 2,-0.4 -0.696 82.8 -90.0-126.0-175.0 7.0 25.4 23.6
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54
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+ 26 38 A W E -I 21 0C 62 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.868 32.7-158.1-108.7 135.8 5.6 25.9 27.1
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+ 27 39 A A E -I 20 0C 27 -7,-2.9 -7,-2.4 -2,-0.4 2,-0.1 -0.981 20.2-119.7-120.1 134.7 1.9 25.9 28.0
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56
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+ 28 40 A H E +I 19 0C 20 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.359 40.9 157.2 -70.1 115.2 0.1 27.3 31.0
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57
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+ 29 41 A T E - 0 0C 43 -11,-2.8 2,-0.3 1,-0.4 159,-0.3 0.628 58.1 -2.9-106.4 -36.8 -1.8 24.6 32.8
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58
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+ 30 42 A a E -I 18 0C 5 -12,-1.8 -12,-3.3 157,-0.1 -1,-0.4 -0.967 58.7-112.8-148.2 173.7 -2.2 25.9 36.4
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59
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+ 31 43 A G E +I 17 0C 1 157,-2.2 12,-0.4 -2,-0.3 2,-0.3 -0.344 32.4 176.1 -99.5-179.3 -1.6 28.6 39.0
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60
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+ 32 44 A G E -I 16 0C 0 -16,-0.9 -16,-1.8 10,-0.1 2,-0.4 -0.974 26.9-114.8-175.2 173.1 0.5 28.4 42.2
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61
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+ 33 45 A T E -IK 15 41C 0 8,-2.4 8,-3.1 -2,-0.3 2,-0.5 -0.984 19.4-137.8-134.2 111.0 1.9 30.1 45.2
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62
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+ 34 46 A L E + K 0 40C 1 -20,-2.3 78,-2.4 -2,-0.4 6,-0.2 -0.643 32.3 164.7 -63.9 105.3 5.5 30.8 45.9
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63
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+ 35 47 A I E + 0 0C 2 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.535 67.1 17.3 -97.6 -30.9 5.9 30.0 49.6
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64
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+ 36 48 A R E > S- K 0 39C 96 3,-2.0 3,-1.0 74,-0.1 -1,-0.4 -0.928 88.1-102.9-129.9 166.3 9.7 29.7 49.8
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65
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+ 37 49 A Q T 3 S+ 0 0 89 -2,-0.3 66,-2.6 1,-0.3 64,-0.1 0.812 128.2 23.2 -64.0 -14.6 12.4 31.0 47.3
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66
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+ 38 50 A N T 3 S+ 0 0 36 64,-0.2 61,-2.8 62,-0.1 2,-0.4 0.168 113.8 82.0-131.0 -1.6 12.6 27.4 46.2
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67
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+ 39 51 A W E < -KL 36 98C 4 -3,-1.0 -4,-2.4 59,-0.2 -3,-2.0 -0.991 52.1-170.3-117.0 136.2 9.2 26.0 47.3
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Thomas Forest